Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aia_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N GLY 1.A O no hydrogen 3.217 N/A CYS 6.A N ALA 2.A O no hydrogen 2.879 N/A CYS 6.A SG HIS 19.A NE2 no hydrogen 3.402 N/A CYS 6.A SG HIS 177.A ND1 no hydrogen 3.523 N/A ALA 7.A N MET 3.A O no hydrogen 2.816 N/A GLY 9.A N ASN 4.A O no hydrogen 2.945 N/A THR 10.A N ALA 7.A O no hydrogen 3.288 N/A ASP 12.A N THR 10.A OG1 no hydrogen 3.125 N/A VAL 14.A N ASP 12.A OD1 no hydrogen 2.944 N/A LEU 16.A N ASP 12.A O no hydrogen 2.814 N/A ASN 17.A N PRO 13.A O no hydrogen 2.762 N/A TYR 18.A N VAL 14.A O no hydrogen 3.194 N/A HIS 19.A N TYR 15.A O no hydrogen 2.826 N/A ASP 20.A N LEU 16.A O no hydrogen 2.946 N/A HIS 21.A N ASN 17.A O no hydrogen 2.798 N/A VAL 22.A N TYR 18.A O no hydrogen 2.861 N/A TRP 23.A N TYR 18.A O no hydrogen 2.881 N/A GLY 24.A N ALA 170.A O no hydrogen 3.203 N/A GLN 25.A N VAL 22.A O no hydrogen 2.953 N/A GLN 25.A NE2 HIS 19.A O no hydrogen 3.512 N/A GLN 25.A NE2 TRP 23.A O no hydrogen 3.111 N/A GLN 25.A NE2 SER 183.A O no hydrogen 3.114 N/A LEU 27.A N ALA 171.A O no hydrogen 3.004 N/A SER 30.A OG GLU 108.A OE2 no hydrogen 3.531 N/A LYS 31.A NZ GLU 66.A OE1 no hydrogen 3.278 N/A LYS 31.A NZ GLU 66.A OE2 no hydrogen 2.709 N/A ALA 32.A N ASP 29.A OD2 no hydrogen 2.884 N/A LEU 33.A N ASP 29.A O no hydrogen 2.973 N/A PHE 34.A N SER 30.A O no hydrogen 3.061 N/A LYS 35.A N LYS 31.A O no hydrogen 3.101 N/A LYS 35.A NZ.A GLU 59.A OE2 no hydrogen 2.215 N/A LYS 35.A NZ.A ASP 64.A OD1 no hydrogen 3.407 N/A LYS 35.A NZ.B GLU 59.A OE2 no hydrogen 3.250 N/A LYS 35.A NZ.B ASP 64.A OD1 no hydrogen 2.908 N/A LEU 36.A N ALA 32.A O no hydrogen 3.195 N/A LEU 37.A N LEU 33.A O no hydrogen 2.948 N/A ALA 38.A N PHE 34.A O no hydrogen 2.822 N/A LEU 39.A N LYS 35.A O no hydrogen 3.001 N/A GLU 40.A N LEU 36.A O no hydrogen 2.979 N/A SER 41.A N LEU 37.A O no hydrogen 3.149 N/A SER 41.A OG ALA 38.A O no hydrogen 2.553 N/A GLN 42.A N LEU 39.A O no hydrogen 3.046 N/A GLN 42.A NE2 SER 41.A OG no hydrogen 3.053 N/A GLN 42.A NE2 LYS 93.A O no hydrogen 2.933 N/A HIS 43.A N GLU 40.A O no hydrogen 3.213 N/A LEU 46.A N HIS 43.A O no hydrogen 2.810 N/A SER 47.A OG THR 50.A OG1 no hydrogen 2.799 N/A THR 50.A N SER 47.A OG no hydrogen 3.102 N/A THR 50.A OG1 SER 47.A OG no hydrogen 2.799 N/A LEU 52.A N TRP 48.A O no hydrogen 2.986 N/A LYS 53.A N LEU 49.A O no hydrogen 2.965 N/A LYS 53.A NZ ASP 12.A OD2 no hydrogen 2.736 N/A LYS 54.A N ILE 51.A O no hydrogen 2.917 N/A LYS 54.A NZ ASN 86.A OD1 no hydrogen 2.926 N/A LYS 55.A N LEU 52.A O no hydrogen 3.149 N/A LYS 55.A NZ GLU 59.A OE2 no hydrogen 2.923 N/A TYR 58.A N LYS 54.A O no hydrogen 2.948 N/A TYR 58.A OH GLN 42.A OE1 no hydrogen 2.692 N/A GLU 59.A N LYS 55.A O no hydrogen 2.852 N/A GLU 60.A N GLU 56.A O no hydrogen 3.012 N/A ALA 61.A N ALA 57.A O no hydrogen 2.908 N/A PHE 62.A N TYR 58.A O no hydrogen 2.843 N/A ASP 64.A N GLU 59.A O no hydrogen 2.744 N/A PHE 65.A N PHE 62.A O no hydrogen 2.821 N/A GLU 66.A N TYR 63.A O no hydrogen 3.148 N/A VAL 70.A N GLU 66.A O no hydrogen 2.995 N/A ALA 71.A N PRO 67.A O no hydrogen 2.819 N/A GLN 72.A N LYS 69.A O no hydrogen 3.216 N/A MET 73.A N VAL 70.A O no hydrogen 3.054 N/A THR 74.A N ASP 77.A OD2 no hydrogen 2.948 N/A THR 74.A OG1 GLN 76.A OE1 no hydrogen 3.456 N/A ASP 77.A N THR 74.A OG1 no hydrogen 3.049 N/A ILE 78.A N THR 74.A O no hydrogen 3.069 N/A ASP 79.A N ALA 75.A O no hydrogen 2.842 N/A ARG 80.A N GLN 76.A O no hydrogen 3.060 N/A ARG 80.A NH2 ASP 77.A OD1 no hydrogen 3.213 N/A LEU 81.A N ASP 77.A O no hydrogen 3.002 N/A MET 82.A N ILE 78.A O no hydrogen 3.105 N/A MET 82.A N ASP 79.A O no hydrogen 3.376 N/A THR 83.A N ARG 80.A O no hydrogen 3.298 N/A THR 83.A OG1 ARG 80.A O no hydrogen 3.466 N/A PHE 84.A N LEU 81.A O no hydrogen 3.034 N/A VAL 88.A N TYR 58.A OH no hydrogen 3.285 N/A HIS 89.A NE2 PHE 84.A O no hydrogen 2.532 N/A HIS 90.A N VAL 88.A O no hydrogen 2.894 N/A ARG 91.A NE GLU 95.A OE2 no hydrogen 2.894 N/A ARG 91.A NH1 ASP 79.A OD1 no hydrogen 2.782 N/A ARG 91.A NH2 ALA 75.A O no hydrogen 3.209 N/A ARG 91.A NH2 ASP 79.A OD1 no hydrogen 3.175 N/A LYS 93.A N HIS 90.A ND1 no hydrogen 3.160 N/A LYS 93.A NZ GLN 42.A O no hydrogen 2.780 N/A LYS 93.A NZ ALA 44.A O no hydrogen 2.761 N/A LEU 94.A N HIS 90.A O no hydrogen 3.092 N/A GLU 95.A N ARG 91.A O no hydrogen 2.884 N/A ALA 96.A N LYS 92.A O no hydrogen 2.892 N/A ASN 99.A N GLU 95.A O no hydrogen 3.147 N/A ASN 99.A ND2 GLN 102.A OE1 no hydrogen 3.246 N/A GLN 100.A N ALA 96.A O no hydrogen 2.823 N/A GLN 100.A NE2 SER 41.A OG no hydrogen 3.014 N/A GLN 100.A NE2 LYS 157.A O no hydrogen 2.913 N/A ALA 101.A N ILE 97.A O no hydrogen 2.966 N/A GLN 102.A N VAL 98.A O no hydrogen 3.106 N/A GLN 102.A NE2 ALA 71.A O no hydrogen 3.298 N/A GLY 103.A N ASN 99.A O no hydrogen 2.984 N/A TYR 104.A N GLN 100.A O no hydrogen 2.890 N/A LEU 105.A N ALA 101.A O no hydrogen 3.188 N/A LYS 106.A N GLN 102.A O no hydrogen 3.114 N/A LYS 106.A NZ TYR 154.A O no hydrogen 3.020 N/A ILE 107.A N GLY 103.A O no hydrogen 2.915 N/A GLU 108.A N TYR 104.A O no hydrogen 2.959 N/A GLN 109.A N LEU 105.A O no hydrogen 3.033 N/A ALA 110.A N LYS 106.A O no hydrogen 3.230 N/A TYR 111.A N ILE 107.A O no hydrogen 2.729 N/A GLY 112.A N GLU 108.A O no hydrogen 2.785 N/A SER 113.A OG SER 30.A OG no hydrogen 3.218 N/A PHE 114.A N GLU 108.A OE2 no hydrogen 2.926 N/A SER 115.A N SER 30.A OG no hydrogen 2.900 N/A SER 115.A OG TYR 28.A O no hydrogen 2.598 N/A LYS 116.A N SER 113.A OG no hydrogen 3.018 N/A PHE 117.A N SER 113.A O no hydrogen 2.951 N/A LEU 118.A N PHE 114.A O no hydrogen 2.942 N/A TRP 119.A N SER 115.A O no hydrogen 2.830 N/A TRP 119.A NE1 LEU 27.A O no hydrogen 2.894 N/A SER 120.A N LYS 116.A O no hydrogen 3.221 N/A SER 120.A OG.B PHE 117.A O no hydrogen 2.653 N/A TYR 121.A N LEU 118.A O no hydrogen 3.013 N/A TYR 121.A OH ASP 150.A OD2 no hydrogen 2.480 N/A VAL 122.A N TRP 119.A O no hydrogen 3.120 N/A ASN 123.A N SER 120.A O no hydrogen 3.027 N/A GLY 124.A N TRP 119.A O no hydrogen 2.853 N/A LYS 125.A N VAL 122.A O no hydrogen 3.313 N/A LYS 127.A N LEU 173.A O no hydrogen 2.817 N/A LYS 127.A NZ TYR 174.A OH no hydrogen 3.034 N/A LEU 129.A N ASP 175.A O no hydrogen 3.087 N/A GLN 130.A N ASP 128.A OD1 no hydrogen 2.895 N/A GLU 132.A N ASP 136.A OD2 no hydrogen 2.691 N/A HIS 133.A N ASP 136.A OD2 no hydrogen 2.904 N/A ALA 134.A N GLU 5.A OE2 no hydrogen 2.885 N/A ASP 136.A N HIS 133.A O no hydrogen 2.912 N/A ARG 137.A N ALA 134.A O no hydrogen 3.119 N/A ARG 137.A NE ALA 176.A O no hydrogen 3.016 N/A ARG 137.A NH1 CYS 6.A O no hydrogen 3.417 N/A ARG 137.A NH2 CYS 6.A O no hydrogen 2.949 N/A ARG 137.A NH2 ALA 176.A O no hydrogen 3.069 N/A ILE 138.A N TYR 131.A OH no hydrogen 3.325 N/A ALA 144.A N ASP 141.A OD1 no hydrogen 2.981 N/A THR 145.A N ASP 141.A O no hydrogen 2.995 N/A THR 145.A OG1 ASP 141.A O no hydrogen 3.003 N/A GLN 146.A N ASP 142.A O no hydrogen 2.891 N/A GLN 146.A NE2 ASP 150.A OD1 no hydrogen 2.911 N/A LEU 147.A N THR 143.A O no hydrogen 2.889 N/A SER 148.A N ALA 144.A O no hydrogen 2.900 N/A SER 148.A OG LEU 159.A O no hydrogen 2.727 N/A LYS 149.A N THR 145.A O no hydrogen 3.035 N/A ASP 150.A N GLN 146.A O no hydrogen 2.859 N/A LEU 151.A N LEU 147.A O no hydrogen 2.861 N/A LYS 152.A N SER 148.A O no hydrogen 3.327 N/A TYR 154.A N LEU 151.A O no hydrogen 2.985 N/A GLY 155.A N LYS 152.A O no hydrogen 2.920 N/A PHE 156.A N LEU 151.A O no hydrogen 3.350 N/A VAL 164.A N GLY 160.A O no hydrogen 2.866 N/A PHE 165.A N PRO 161.A O no hydrogen 2.900 N/A SER 166.A N VAL 162.A O no hydrogen 3.018 N/A SER 166.A OG VAL 162.A O no hydrogen 3.381 N/A PHE 167.A N THR 163.A O no hydrogen 2.974 N/A LEU 168.A N VAL 164.A O no hydrogen 2.848 N/A GLU 169.A N PHE 165.A O no hydrogen 3.098 N/A ALA 170.A N SER 166.A O no hydrogen 2.947 N/A ALA 171.A N PHE 167.A O no hydrogen 2.841 N/A GLY 172.A N GLU 169.A O no hydrogen 3.317 N/A TYR 174.A N LEU 168.A O no hydrogen 3.059 N/A TYR 174.A OH ASP 141.A OD1 no hydrogen 3.286 N/A TYR 174.A OH ASP 141.A OD2 no hydrogen 2.697 N/A ASP 175.A N LYS 127.A O no hydrogen 2.926 N/A HIS 177.A N ASP 175.A OD1 no hydrogen 2.953 N/A HIS 177.A NE2 TRP 23.A O no hydrogen 2.780 N/A LYS 179.A N TYR 131.A O no hydrogen 2.884 N/A CYS 181.A N LEU 178.A O no hydrogen 2.922 N/A CYS 181.A SG HIS 19.A NE2 no hydrogen 3.537 N/A CYS 181.A SG HIS 177.A ND1 no hydrogen 3.717 N/A SER 183.A OG ASP 20.A OD1 no hydrogen 2.761 N/A LYS 184.A N CYS 181.A O no hydrogen 3.075 N/A LYS 184.A NZ ASP 128.A OD1 no hydrogen 2.919 N/A LYS 184.A NZ ASP 175.A OD2 no hydrogen 2.766 N/A LYS 184.A NZ HIS 177.A O no hydrogen 3.206 N/A HIS 187.A NE2 ASP 175.A OD2 no hydrogen 2.602 N/A